4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide

C38H43N7O4 — CID 127031108

IUPAC4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
SMILESCc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCc3ccnc(C(=O)NCCN4CCOCC4)c3)c3ccccc23)cc1
InChIInChI=1S/C38H43N7O4/c1-26-9-11-28(12-10-26)45-35(24-34(43-45)38(2,3)4)42-37(47)41-31-13-14-33(30-8-6-5-7-29(30)31)49-25-27-15-16-39-32(23-27)36(46)40-17-18-44-19-21-48-22-20-44/h5-16,23-24H,17-22,25H2,1-4H3,(H,40,46)(H2,41,42,47)
InChIKeyHNTBYCLQOJUQFT-UHFFFAOYSA-N
MW661.81 g/mol
LogP6.31
Rot. Bonds10

About 4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide

4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide (PubChem CID 127031108) has the molecular formula C38H43N7O4 and a molecular weight of 661.81 g/mol. Its IUPAC name is 4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
PubChem CID127031108
Molecular FormulaC38H43N7O4
Molecular Weight661.81 g/mol
Exact Mass661.34
IUPAC Name4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
SMILESCc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCc3ccnc(C(=O)NCCN4CCOCC4)c3)c3ccccc23)cc1
InChIInChI=1S/C38H43N7O4/c1-26-9-11-28(12-10-26)45-35(24-34(43-45)38(2,3)4)42-37(47)41-31-13-14-33(30-8-6-5-7-29(30)31)49-25-27-15-16-39-32(23-27)36(46)40-17-18-44-19-21-48-22-20-44/h5-16,23-24H,17-22,25H2,1-4H3,(H,40,46)(H2,41,42,47)
InChIKeyHNTBYCLQOJUQFT-UHFFFAOYSA-N
XLogP6.31
TPSA122.64 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.81
LogP ≤ 56.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide?
The IUPAC name of 4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide (CID 127031108) is 4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide?
The canonical SMILES for 4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide is Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCc3ccnc(C(=O)NCCN4CCOCC4)c3)c3ccccc23)cc1.
What is the InChIKey of 4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide?
The InChIKey is HNTBYCLQOJUQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H43N7O4/c1-26-9-11-28(12-10-26)45-35(24-34(43-45)38(2,3)4)42-37(47)41-31-13-14-33(30-8-6-5-7-29(30)31)49-25-27-15-16-39-32(23-27)36(46)40-17-18-44-19-21-48-22-20-44/h5-16,23-24H,17-22,25H2,1-4H3,(H,40,46)(H2,41,42,47).
What are the key properties of 4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide?
4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide has a molecular weight of 661.81 g/mol, XLogP of 6.31, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide is sourced from PubChem (CID 127031108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).